SCHEMBL3976996

SCHEMBL3976996

COc1ccc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1Br

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 6/20 0.50
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP3A4 P08684 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
UBE2N P61088 1/20 0.44
ALOX12 P18054 1/20 0.44
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3978634 0.90 CYP3A4 (0.56) ALDH1A1GAAPKMHPGDCYP3A4
SCHEMBL3974631 0.90 CTSA (0.47) ALDH1A1GAAPKMHPGDCYP3A4
SCHEMBL3982336 0.87 LMNA (0.47) ALDH1A1GAAPKMHPGDCYP3A4
SCHEMBL3974199 0.87 ALDH1A1 (0.59) ALDH1A1GAAHPGDCYP3A4MAPT
SCHEMBL3978024 0.87 CYP3A4 (0.45) L3MBTL1ALDH1A1GAAPKMHPGD
SCHEMBL3977741 0.86 GCGR (0.49) ALDH1A1GAAHPGDCYP3A4MAPT
SCHEMBL3979538 0.84 ALDH1A1 (0.49) ALDH1A1GAAHPGDCYP3A4MAPT
SCHEMBL3978777 0.84 CYP3A4 (0.43) ALDH1A1GAAPKMHPGDCYP3A4
SCHEMBL3983962 0.84 MEN1 (0.40) MAPTKMT2AMEN1
SCHEMBL3976939 0.83 SMPD1 (0.55) HPGDCYP3A4KMT2AKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 L3MBTL1 2556/4885ALDH1A1 1389/4885GAA 1023/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.